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SIM (version 1.42.0)

getScore: Calculate similarity score for a peak

Description

This function calculates and output the similarity score for a peak while a reference spectrum is provided. The score is based on spectral matching and RI difference between the true peak and the reference.

Usage

getScore(trueSpec = numeric(), refSpec = numeric(), 
                        trueRI = 0, refRI = 0, deltaRI = 30)

Arguments

trueSpec
a numeric vector of intensity values for the measure, i.e. true, spectrum.
refSpec
a numeric vector of the intensity values for the reference spectrum.
trueRI
a numeric value of the measured, i.e. true, retention index
refRI
a numeric value of the reference retention index
deltaRI
a numeric value for the penalty on the retention index similarity score

Value

  • numeric

Details

By calling getScore(), this function calculates the similarity score for multiple peaks in multiple runs. This is performed by using spectral and retention index information together.

References

http://omics.georgetown.edu/SIMAT.html

See Also

getPeakScore

Examples

Run this code
getScore(trueSpec = c(97, 995, 278, 343), refSpec = c(100, 1000, 250, 390))

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